Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-109790
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Al', 'Tl', 'Cu', 'Se']
  • Chemical System: Al-Cu-Se-Tl
  • Density: 6.8878928765367355
  • Atomic Density: 0.0440232538212882
  • Unit Cell Volume: 227.15267800501215
  • Molar Volume: 13.679454009571392
  • Full Formula: Al1 Tl2 Cu3 Se4
  • Reduced Formula: AlTl2Cu3Se4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2